5-Hydroxyectoine

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Properties Simple | Detailed

Formula C6H10N2O3
IUPAC Name (5s,6s)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Molecular Mass 158.155 g·mol−1
Heat of Formation -533.9 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 183.24 Å 3
Surface Area 177.3 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 3.38 ± eV
Point Group Symmetry C1
InChIKey KIIBBJKLKFTNQO-WHFBIAKZSA-N
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